1,1,1-Trifluoro-4-hydroxypentan-2-one
TL;DR: 1,1,1-Trifluoro-4-hydroxypentan-2-one (CAS 400-33-9) is a chemical compound with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-hydroxypentan-2-one
Also Known As: 1,1,1-trifluoro-4-hydroxypentan-2-one, 1,1,1-trifluoro-4-hydroxy-pentan-2-one, 2-Pentanone,1,1,1-trifluoro-4-hydroxy-, 2-Pentanone, 1,1,1-trifluoro-4-hydroxy-
| Molecular Formula | C5H7F3O2 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.8887 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03981 |
| Heavy Atoms | 10 |
| Complexity | 127.34498 |
Chemical Identifiers
| CAS Number | 400-33-9 |
|---|---|
| SMILES | CC(CC(=O)C(F)(F)F)O |
Product Overview
1,1,1-Trifluoro-4-hydroxypentan-2-one (CAS 400-33-9), with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol. IUPAC: 1,1,1-trifluoro-4-hydroxypentan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-4-hydroxypentan-2-one
Property Insights of 1,1,1-Trifluoro-4-hydroxypentan-2-one
The XLogP value of 0.8887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-hydroxypentan-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1,1-Trifluoro-4-hydroxypentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-hydroxypentan-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1-Trifluoro-4-hydroxypentan-2-one?
The CAS number of 1,1,1-Trifluoro-4-hydroxypentan-2-one is 400-33-9.
What is the molecular formula of 1,1,1-Trifluoro-4-hydroxypentan-2-one?
The molecular formula of 1,1,1-Trifluoro-4-hydroxypentan-2-one is C5H7F3O2.
What is the molecular weight of 1,1,1-Trifluoro-4-hydroxypentan-2-one?
The molecular weight of 1,1,1-Trifluoro-4-hydroxypentan-2-one is 156.04 g/mol.
Where can I buy 1,1,1-Trifluoro-4-hydroxypentan-2-one?
You can request a quote for 1,1,1-Trifluoro-4-hydroxypentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-4-hydroxypentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-hydroxypentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.